| Entry |
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| Name |
3-Oxopalmitoyl-CoA;
3-Ketopalmitoyl-CoA;
3-Oxohexadecanoyl-CoA
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| Formula |
C37H64N7O18P3S
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| Exact mass |
1019.3241
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| Mol weight |
1019.93
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| Structure |
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| Reaction |
|
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| Pathway |
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| Module |
| M00085 | Fatty acid elongation in mitochondria |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C05259 3-Oxohexadecanoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 66
1 C1b C 21.1624 -21.7000
2 C5a C 22.3749 -21.0000
3 S2a S 23.5873 -21.7000
4 C1b C 24.7997 -21.0000
5 C1b C 26.0122 -21.7000
6 N1b N 27.2246 -21.0000
7 C5a C 28.4370 -21.7000
8 C1b C 29.6495 -21.0000
9 C1b C 30.8619 -21.7000
10 N1b N 32.0744 -21.0000
11 C5a C 33.2868 -21.7000
12 C1c C 34.4992 -21.0000
13 C1d C 35.7117 -21.7000
14 C1b C 36.9241 -21.0000
15 O2b O 38.1365 -21.7000
16 O5a O 22.3749 -19.6002
17 O5a O 28.4370 -23.0999
18 O5a O 33.2868 -23.0996
19 O1a O 34.4992 -19.6000
20 C1a C 35.7117 -20.3000
21 C1a C 35.7117 -23.1000
22 P1b P 39.5365 -21.7000
23 O1c O 40.9365 -21.7000
24 O1c O 39.5365 -23.1000
25 C1y C 33.0400 -16.7300
26 C1y C 34.4400 -16.7300
27 C1y C 34.8726 -15.3985
28 O2x O 33.7400 -14.5756
29 C1y C 32.6074 -15.3985
30 C1b C 36.1922 -14.9697
31 O1a O 32.2171 -17.8626
32 O2b O 35.2629 -17.8626
33 P1b P 36.6629 -17.8626
34 O1c O 36.6629 -16.4626
35 O1c O 38.0629 -17.8626
36 O1c O 36.6629 -19.2626
37 C8y C 28.4900 -13.5800
38 C8y C 28.4900 -14.9800
39 N4y N 30.9149 -14.9800
40 C8x C 30.9149 -13.5800
41 N5x N 29.7024 -12.8800
42 C8y C 27.2776 -12.8800
43 N5x N 26.0651 -13.5800
44 C8x C 26.0651 -14.9800
45 N5x N 27.2776 -15.6800
46 N1a N 27.2776 -11.4802
47 O2b O 38.1745 -15.4020
48 P1b P 39.5745 -15.4020
49 O1c O 39.5745 -14.0020
50 O1c O 40.9745 -15.4020
51 O2c O 39.5745 -18.6220
52 C5a C 19.9276 -21.0000
53 C1b C 18.7151 -21.7000
54 C1b C 17.5027 -21.0000
55 C1b C 16.2903 -21.7000
56 C1b C 15.0778 -21.0000
57 C1b C 13.8654 -21.7000
58 C1b C 12.6530 -21.0000
59 C1b C 11.4405 -21.7000
60 C1b C 10.2281 -21.0000
61 C1b C 9.0156 -21.7000
62 C1b C 7.8032 -21.0000
63 C1b C 6.5908 -21.7000
64 C1b C 5.3783 -21.0000
65 C1a C 4.1659 -21.7000
66 O5a O 19.9220 -19.6003
BOND 68
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 60 61 1
64 61 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 52 66 2
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